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    9 repositories

    • MatterTune

      Public
      A unified platform for fine-tuning atomistic foundation models in chemistry and materials science
      Jupyter Notebook
      •
      MIT License
      •9•75•0•2•Updated Apr 10, 2026Apr 10, 2026

    • DOSMatGen

      Public
      Electronic Structure Guided Inverse Design Using Generative Models
      Jupyter Notebook
      •
      GNU General Public License v3.0
      •1•14•1•0•Updated Apr 6, 2026Apr 6, 2026

    • ActiveStructOpt

      Public
      Jupyter Notebook
      •5•1•0•0•Updated Apr 3, 2026Apr 3, 2026

    • MatDeepLearn_dev

      Public
      Python
      •15•19•2•5•Updated Sep 23, 2025Sep 23, 2025

    • MatStructPredict

      Public
      Python
      •
      MIT License
      •2•1•0•2•Updated Nov 21, 2024Nov 21, 2024

    • LLMatDesign

      Public
      Autonomous Materials Discovery with Large Language Models
      Python
      •
      MIT License
      •5•21•1•0•Updated Oct 23, 2024Oct 23, 2024

    • AI-materials-VIP

      Public
      This is the github repository for the Accelerating Materials Discovery with AI VIP team
      1•1•0•0•Updated Aug 21, 2023Aug 21, 2023

    • MatDeepLearn

      Public
      MatDeepLearn, package for graph neural networks in materials chemistry
      Python
      •42•204•10•0•Updated Mar 20, 2023Mar 20, 2023

    • StructRepGen

      Public
      Atomic Structure Generation from Reconstructing Structural Fingerprints
      Python
      •
      MIT License
      •5•15•0•0•Updated Oct 6, 2022Oct 6, 2022
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